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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/58/1525807.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1525807
loop_
_publ_author_name
'Lisboa-Filho, P. N.'
'Zanetti, S. M.'
'Mombrú, A. W.'
'Nascente, P. A. P.'
'Leite, E. R.'
'Ortiz, W. A.'
'Araújo-Moreira, F. M.'
_publ_section_title
;
 Crystallographic, microstructural and magnetic properties of
 polycrystalline PrBa₂Cu₃O~7-δ~
;
_journal_coden_ASTM              SUSTEF
_journal_issue                   8
_journal_name_full               'Superconductor Science and Technology'
_journal_page_first              522
_journal_page_last               527
_journal_paper_doi               10.1088/0953-2048/14/8/302
_journal_volume                  14
_journal_year                    2001
_chemical_formula_sum            'Ba Cu1.023 O2.045'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            88
_cell_length_a                   18.3742
_cell_length_b                   18.3742
_cell_length_c                   18.3742
_cell_volume                     6203.336
_cod_data_source_file            Lisboa-Filho_SUSTEF_2001_1978.cif
_cod_data_source_block           Ba1Cu1.023O2.045
_cod_original_cell_volume        6203.337
_cod_original_formula_sum        'Ba1 Cu1.023 O2.045'
_cod_database_code               1525807
loop_
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu3 Cu+2 0.291 0 0 1 0.0
Ba1 Ba+2 0 0.14 0.332 1 0.0
Cu1 Cu+2 0.126 0.626 0.25 1 0.0
Cu2 Cu+2 0 0.161 0.161 1 0.0
Ba3 Ba+2 0.151 0.151 0.151 1 0.0
O3 O-2 0.2662 0.2662 0.0845 1 0.0
Cu4 Cu+2 0.38 0 0 0.5 0.0
O2 O-2 0.1432 0.1432 0.3494 1 0.0
O6 O-2 0 0.1052 0.4497 0.25 0.0
O4 O-2 0.25 0 0.5 1 0.0
O1 O-2 0.0741 0.0741 0.1859 1 0.0
O5 O-2 0.3348 0 0 1 0.0
Ba2 Ba+2 0 0.329 0.329 1 0.0
